4,4'-(pyrimidine-2,4-diyldiimino)bis(4-oxobut-2-enoic acid)
TL;DR: 4,4'-(pyrimidine-2,4-diyldiimino)bis(4-oxobut-2-enoic acid) (CAS 7145-87-1) is a chemical compound with molecular formula C12H10N4O6 and molecular weight 306.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[[2-[[(E)-3-carboxyprop-2-enoyl]amino]pyrimidin-4-yl]amino]-4-oxobut-2-enoic acid
Also Known As: 4,4'-(pyrimidine-2,4-diyldiimino)bis(4-oxobut-2-enoic acid), (E)-4-[[2-[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]pyrimidin-4-yl]amino]-4-oxobut-2-enoic acid
| Molecular Formula | C12H10N4O6 |
|---|---|
| Molecular Weight | 306.06 g/mol |
| LogP | -0.3648 |
| Topological Polar Surface Area | 158.58 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.06003 |
| Heavy Atoms | 22 |
| Complexity | 614.08527 |
Chemical Identifiers
| CAS Number | 7145-87-1 |
|---|---|
| SMILES | C1=CN=C(N=C1NC(=O)/C=C/C(=O)O)NC(=O)/C=C/C(=O)O |
Product Overview
4,4'-(pyrimidine-2,4-diyldiimino)bis(4-oxobut-2-enoic acid) (CAS 7145-87-1), with molecular formula C12H10N4O6 and molecular weight 306.06 g/mol. IUPAC: (E)-4-[[2-[[(E)-3-carboxyprop-2-enoyl]amino]pyrimidin-4-yl]amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4,4'-(pyrimidine-2,4-diyldiimino)bis(4-oxobut-2-enoic acid)
Property Insights of 4,4'-(pyrimidine-2,4-diyldiimino)bis(4-oxobut-2-enoic acid)
The XLogP value of -0.3648 indicates that 4,4'-(pyrimidine-2,4-diyldiimino)bis(4-oxobut-2-enoic acid) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.58 Ų indicates high polarity, suggesting 4,4'-(pyrimidine-2,4-diyldiimino)bis(4-oxobut-2-enoic acid) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-(pyrimidine-2,4-diyldiimino)bis(4-oxobut-2-enoic acid) has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4'-(pyrimidine-2,4-diyldiimino)bis(4-oxobut-2-enoic acid)?
The CAS number of 4,4'-(pyrimidine-2,4-diyldiimino)bis(4-oxobut-2-enoic acid) is 7145-87-1.
What is the molecular formula of 4,4'-(pyrimidine-2,4-diyldiimino)bis(4-oxobut-2-enoic acid)?
The molecular formula of 4,4'-(pyrimidine-2,4-diyldiimino)bis(4-oxobut-2-enoic acid) is C12H10N4O6.
What is the molecular weight of 4,4'-(pyrimidine-2,4-diyldiimino)bis(4-oxobut-2-enoic acid)?
The molecular weight of 4,4'-(pyrimidine-2,4-diyldiimino)bis(4-oxobut-2-enoic acid) is 306.06 g/mol.
Where can I buy 4,4'-(pyrimidine-2,4-diyldiimino)bis(4-oxobut-2-enoic acid)?
You can request a quote for 4,4'-(pyrimidine-2,4-diyldiimino)bis(4-oxobut-2-enoic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(pyrimidine-2,4-diyldiimino)bis(4-oxobut-2-enoic acid)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(pyrimidine-2,4-diyldiimino)bis(4-oxobut-2-enoic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.